ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate

C10H17N3O4S — CID 70426989

IUPACethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C(C)(C)S(N)(=O)=O)n[nH]c1C
InChIInChI=1S/C10H17N3O4S/c1-5-17-9(14)7-6(2)12-13-8(7)10(3,4)18(11,15)16/h5H2,1-4H3,(H,12,13)(H2,11,15,16)
InChIKeyPFJPBMWXWIALMF-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.42
Rot. Bonds4

About ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate

ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate (PubChem CID 70426989) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate
PubChem CID70426989
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nameethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C(C)(C)S(N)(=O)=O)n[nH]c1C
InChIInChI=1S/C10H17N3O4S/c1-5-17-9(14)7-6(2)12-13-8(7)10(3,4)18(11,15)16/h5H2,1-4H3,(H,12,13)(H2,11,15,16)
InChIKeyPFJPBMWXWIALMF-UHFFFAOYSA-N
XLogP0.42
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate (CID 70426989) is ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(C(C)(C)S(N)(=O)=O)n[nH]c1C.
What is the InChIKey of ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate?
The InChIKey is PFJPBMWXWIALMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-5-17-9(14)7-6(2)12-13-8(7)10(3,4)18(11,15)16/h5H2,1-4H3,(H,12,13)(H2,11,15,16).
What are the key properties of ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate?
ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate has a molecular weight of 275.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-(2-sulfamoylpropan-2-yl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 70426989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).